4-bromanyl-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-bromanyl-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide Openeye Name: 4-bromo-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1H-pyrrole-2-carboxamide CAS Name: 4-bromo-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-1H-pyrrole-2-carboxamide IUPAC Name: 4-bromo-N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide Traditional Name: 4-bromo-N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-1H-pyrrole-2-carboxamide Formula: C18H15BrN6O MolecularWeight: 411.2553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC(=CN3)Br)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)C3=CC(=CN3)Br)CCC#N

InChI

InChI=1S/C18H15BrN6O/c19-15-9-16(21-11-15)18(26)23-22-10-14-12-25(8-4-7-20)24-17(14)13-5-2-1-3-6-13/h1-3,5-6,9-12,21H,4,8H2,(H,23,26)/b22-10-